chempirical

4-Piperidinone

C5H9NOCAS 41661-47-699.13 g/mol

Open in Covalent MOL file
ONH
KetoneSecondary amine

Properties

Molecular formula
C5H9NO
Molar mass
99.13 g/mol
Exact mass
99.0684 Da
logP
-0.06Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
41661-47-6
SMILES
O=C1CCNCC1
InChIKey
VRJHQPZVIGNGMX-UHFFFAOYSA-N
InChI
InChI=1S/C5H9NO/c7-5-1-3-6-4-2-5/h6H,1-4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 4-Piperidone
  • γ-Piperidinone
  • γ-Piperidone
  • 4-Oxopiperidine
  • Piperidine-4-one

Work with 4-Piperidinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Piperidone hydrochloride41979-39-982 % similar 3-Pyrrolidinone96-42-467 % similar 3-Pyrrolidinone, hydrochloride (1:1)3760-52-957 % similar Cyclohexanone108-94-144 % similar Cyclooctanone502-49-844 % similar Cyclopentadecanone502-72-744 % similar Cyclododecanone830-13-744 % similar Tetrahydrothiopyran-4-one1072-72-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Ethyl-2-oxazoline10431-98-8 Butyl isocyanate111-36-4 4-Amino-3-penten-2-one1118-66-7 Cyclopentanone oxime1192-28-5 tert-Butyl isocyanate1609-86-5 3-Ethoxypropanenitrile2141-62-0 N,N-Dimethylacrylamide2680-03-7 N-Methyl-N-vinylacetamide3195-78-6

Elsewhere

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